SCHEMBL8017886

SCHEMBL8017886

CCCC1CCC(C2CCC(COc3ccc(C(=O)Oc4cc(F)c(F)c(F)c4)cc3)CC2)CC1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 6/20 0.44
PARP15 Q460N3 5/20 0.44
PARP2 Q9UGN5 2/20 0.44
SCN9A Q15858 2/20 0.40
MAOB P27338 1/20 0.39
FFAR4 Q5NUL3 1/20 0.38
NR1H4 Q96RI1 1/20 0.38
ADAM17 P78536 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
MCHR1 Q99705 1/20 0.37
CYP2C9 P11712 1/20 0.36
FFAR1 O14842 1/20 0.36
PPARD Q03181 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8017881 1.00 PARP10 (0.44) PARP10PARP15PARP2SCN9AMAOB
SCHEMBL8018627 0.97 PARP10 (0.47) PARP10PARP15PARP2SCN9AMAOB
SCHEMBL8018629 0.97 PARP10 (0.47) PARP10PARP15PARP2SCN9AMAOB
SCHEMBL8017898 0.94 PARP10 (0.43) PARP10PARP15PARP2SCN9AMAOB
SCHEMBL8017896 0.94 PARP10 (0.43) PARP10PARP15PARP2SCN9AMAOB
SCHEMBL8013979 0.93 PARP10 (0.42) PARP10PARP15PARP2SCN9AMAOB
SCHEMBL8013983 0.93 PARP10 (0.42) PARP10PARP15PARP2SCN9AMAOB
SCHEMBL8013498 0.91 PARP10 (0.46) PARP10PARP15PARP2SCN9AMAOB
SCHEMBL8013495 0.91 PARP10 (0.46) PARP10PARP15PARP2SCN9AMAOB
SCHEMBL8020271 0.90 PARP10 (0.45) PARP10PARP15PARP2SCN9AMAOB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6149990-A Carboxylate derivatives comprising an ether group and liquid crystal composition comprising the same CHISSO CORPORATION (JP) 2000-11-21 US disclosed
EP-0884302-A1 CARBOXYLIC ESTER DERIVATIVES CONTAINING ETHER GROUP AND LIQUID-CRYSTAL COMPOSITION CONTAINING THE SAME CHISSO CORPORATION (JP) 1998-12-16 EP disclosed